{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbab" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.25 0.891123 ] [ 0 0.25 0.108877 ] [ 0.5 0.75 0.108877 ] [ 0 0.75 0.891123 ] [ 0 0.75 0.352649 ] [ 0 0.25 0.647351 ] [ 0.5 0.75 0.647351 ] [ 0.5 0.25 0.352649 ] [ 0.651149 0.393452 0.220051 ] [ 0.151149 0.106548 0.779949 ] [ 0.848851 0.393452 0.779949 ] [ 0.348851 0.106548 0.220051 ] [ 0.348851 0.606548 0.779949 ] [ 0.651149 0.893452 0.779949 ] [ 0.151149 0.606548 0.220051 ] [ 0.848851 0.893452 0.220051 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.12946092 "source-unit" "angstrom" } "b" { "source-value" 6.28252497 "source-unit" "angstrom" } "c" { "source-value" 7.0700519 "source-unit" "angstrom" } }